4-(chloromethyl)-N,N-dimethyl-1,3-thiazol-2-amine

• ChemBase ID: 802179
• Molecular Formular: C6H9ClN2S
• Molecular Mass: 176.66706
• Monoisotopic Mass: 176.01749698
• SMILES: s1c(nc(c1)CCl)N(C)C
• Canonical SMILES: ClCc1csc(n1)N(C)C
• InChI: InChI=1S/C6H9ClN2S/c1-9(2)6-8-5(3-7)4-10-6/h4H,3H2,1-2H3
• InChIKey: DMLCXKGYCJOQLY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(chloromethyl)-N,N-dimethyl-1,3-thiazol-2-amine
• IUPAC Traditional name: 4-(chloromethyl)-N,N-dimethyl-1,3-thiazol-2-amine
• Synonyms: 4-(CHLOROMETHYL)-N,N-DIMETHYL-1,3-THIAZOL-2-AMINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.0926378
• LogD (pH = 7.4): 2.0930412
• Log P: 2.0930464
• Molar Refractivity: 44.513 cm^3
• Polarizability: 16.647198 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%